2-bromo-2-(2-fluoropropan-2-yl)-1H-pyridine

C8H11BrFN — CID 126483986

IUPAC2-bromo-2-(2-fluoropropan-2-yl)-1H-pyridine
SMILESCC(C)(F)C1(Br)C=CC=CN1
InChIInChI=1S/C8H11BrFN/c1-7(2,10)8(9)5-3-4-6-11-8/h3-6,11H,1-2H3
InChIKeyPQJQOVHIMQHVMS-UHFFFAOYSA-N
MW220.09 g/mol
LogP2.50
Rot. Bonds1

About 2-bromo-2-(2-fluoropropan-2-yl)-1H-pyridine

2-bromo-2-(2-fluoropropan-2-yl)-1H-pyridine (PubChem CID 126483986) has the molecular formula C8H11BrFN and a molecular weight of 220.09 g/mol. Its IUPAC name is 2-bromo-2-(2-fluoropropan-2-yl)-1H-pyridine.

Molecular Properties

Compound Name2-bromo-2-(2-fluoropropan-2-yl)-1H-pyridine
PubChem CID126483986
Molecular FormulaC8H11BrFN
Molecular Weight220.09 g/mol
Exact Mass219.01
IUPAC Name2-bromo-2-(2-fluoropropan-2-yl)-1H-pyridine
SMILESCC(C)(F)C1(Br)C=CC=CN1
InChIInChI=1S/C8H11BrFN/c1-7(2,10)8(9)5-3-4-6-11-8/h3-6,11H,1-2H3
InChIKeyPQJQOVHIMQHVMS-UHFFFAOYSA-N
XLogP2.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.09
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-bromo-3-fluoro-2-methyl-1H-pyridine
CID 68597580
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2-bromo-2,5-dimethyl-3-(trifluoromethyl)-1H-pyridine
CID 163218583
4-bromo-2-fluoro-2-methyl-1H-pyridine
CID 163607972
4-Bromo-6-fluoro-3-methyl-2,3-dihydroisoquinoline
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2-(bromomethyl)-2,4-diethyl-1H-pyridine
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6-bromo-3a,7a-dihydro-1H-indole
CID 89468565
5-bromo-3a,7a-dihydro-1H-indole
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(2Z)-5-bromo-2-[(E)-hex-2-enylidene]-1H-pyridine
CID 118889031
5-Bromo-2-(1-bromoethyl)-1,2-dihydropyridine;ethane
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6-Bromo-2-prop-1-en-2-yl-1,2-dihydropyridine
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2-bromo-2-ethyl-1H-pyridine
CID 152139756

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-(2-fluoropropan-2-yl)-1H-pyridine?
The IUPAC name of 2-bromo-2-(2-fluoropropan-2-yl)-1H-pyridine (CID 126483986) is 2-bromo-2-(2-fluoropropan-2-yl)-1H-pyridine.
What is the SMILES notation for 2-bromo-2-(2-fluoropropan-2-yl)-1H-pyridine?
The canonical SMILES for 2-bromo-2-(2-fluoropropan-2-yl)-1H-pyridine is CC(C)(F)C1(Br)C=CC=CN1.
What is the InChIKey of 2-bromo-2-(2-fluoropropan-2-yl)-1H-pyridine?
The InChIKey is PQJQOVHIMQHVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrFN/c1-7(2,10)8(9)5-3-4-6-11-8/h3-6,11H,1-2H3.
What are the key properties of 2-bromo-2-(2-fluoropropan-2-yl)-1H-pyridine?
2-bromo-2-(2-fluoropropan-2-yl)-1H-pyridine has a molecular weight of 220.09 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-(2-fluoropropan-2-yl)-1H-pyridine is sourced from PubChem (CID 126483986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).